coyne

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:480-40-0

mdl number:mfcd00006834

einecs number:207-549-7

rtecs number:lk8329050

brn number:233276

pubchem number:24893009

physical property data

1. character:light yellow powder

2. density (g/ m³,25/4℃): undetermined

3. relative vapor density (g/cm³ ,air=1): undetermined

4. melting point (ºc):284-286

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturation vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of water) partition coefficient: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

mutagenicity data: inhibitiontest system for dna: human fibroblasts: 100ml/l

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1, molar refractive index:

2、 molar volume（m³/mol)：176.1

3、 isotonic specific volume (90.2k):506.1

4、 surface tension（dyne/cm）：68.2

5、 polarizability(10^-24cm³）：26.94

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: 12

6. topological molecule polar surface area 66.8

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 384

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

synthesis method

none yet

purpose

synthesize raw materials for anti-cancer, lowering blood lipids, preventing cardiovascular and cerebrovascular diseases, antibacterial, anti-inflammatory and other pharmaceutical ingredients.